4-(4-ニトロベンジル)ピリジン

4-(4-Nitrobenzyl)pyridine

HCID 14129CAS 1083-48-3

基本情報

標準SMILES
O=[N+]([O-])c1ccc(Cc2ccncc2)cc1
InChIKey
MNHKUCBXXMFQDM-UHFFFAOYSA-N
分子式
C12H10N2O2
平均分子量
214.22 g/mol
単同位体質量
214.07422756

概要

reagent for determination of organophosphorus pesticides spectrophotometrically

名称と識別子

優先名称
4-(4-Nitrobenzyl)pyridine
IUPAC
4-[(4-nitrophenyl)methyl]pyridine
現地名
4-(4-ニトロベンジル)ピリジン
英語名
4-(4-Nitrobenzyl)pyridine
分子式
C12H10N2O2
分子量
214.22

名称と別名

4-(4-Nitrobenzyl)pyridine1083-48-34-(p-Nitrobenzyl)pyridinePyridine, 4-[(4-nitrophenyl)methyl]-gamma-(p-Nitrobenzyl)pyridinePyridine, 4-((4-nitrophenyl)methyl)-0Z6GS37N7HNSC-83591DTXSID20614824-[4-Nitrobenzyl]pyridineRefChem:97266DTXCID6033110
名称をさらに表示
4-(4-ニトロベンジル)ピリジンニトロベンジルピリジン4-[(4-ニトロフェニル)メチル]ピリジン4-(p-ニトロベンジル)ピリジン4-(4-ニトロベンジル)ピリジン(γ)4‐(P‐ニトロベンジル)ピリジンNBPNBPTIMTEC-BB SBB008854Nitrobenzyl)pyridine4-Nitrobenzylpyridin4-Nitrobenzyl pyridinePARA-NITROBENZYLPYRIDINE4-(4-Nitrobenyl)pyridine4-(4-Nitrobenzyl)pyridin4-(p-nitrobenzyl)-pyridin
214-108-24-[(4-nitrophenyl)methyl]pyridinePYRIDINE, 4-(p-NITROBENZYL)-1-(p-Nitrobenzyl)pyridineMFCD00006445NSC 83591.gamma.-(p-Nitrobenzyl)pyridine.gamma.-(4-Nitrobenzyl)pyridine

データベース識別子

CAS
1083-48-3
PubChem CID
14129
DTXSID
DTXSID2061482
ChEMBL
CHEMBL1606980
UNII
0Z6GS37N7H
EC Number
214-108-2
Nikkaji
J85.712B

物性

構造計算による物性

XLogP
2.7
極性表面積
58.7 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
2
重原子数
16

実験および物理化学的性質

LogP2.73

物理化学的性質

融点
69 · 69-71 °C (lit.)
沸点
354.35 °C · 354.35°C (rough estimate)
比重(密度)
1.2042 · 1.2042 (rough estimate)
屈折率
1.666 · 1.6660 (estimate)
貯蔵温度
30 °C · Store below +30°C.
外見
結晶または結晶性粉末

化学的性質

化学的特性LIGHT YELLOW CRYSTALS OR CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Pyridine, 4-[(4-nitrophenyl)methyl]-

4-(4-Nitrobenzyl) pyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F
10-23
wgk
3
tsca
TSCA listed
rtecs
UT6360000
hs_code
29333999
risk_code
36/37/38

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Colorless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into colored compounds; used in biochemical assays and in diagnosis as indicators, especially in the form of enzyme substrates. Synonym: chromogens (not to be confused with pigment-synthesizing bacteria also called chromogens).

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

用途と製造

General Manufacturing InformationPyridine, 4-[(4-nitrophenyl)methyl]-: ACTIVE

応用分野

使用4-(4-Nitrobenzyl)pyridine is used in tests for alkylating agents1 and in a spectroscopic method for phosgene determination.2

調製方法

純化方法Crystallise PNBP from aqueous EtOH or cyclohexane. The hydrochloride has m 194-196o(dec, from EtOH), and the picrate has m 168o(dec, from EtOH/EtOAc). [Beilstein 20 II 272, 20/7 V 564.]

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

関連反応

16 件

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